2g1s
From Proteopedia
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[[Category: Mcconnella, P.]] | [[Category: Mcconnella, P.]] | ||
[[Category: Zhanga, E.]] | [[Category: Zhanga, E.]] | ||
| - | [[Category: | + | [[Category: Protein-ligand complex]] |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat Apr 5 19:13:16 2008'' |
Revision as of 16:13, 5 April 2008
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| , resolution 2.50Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Gene: | REN (Homo sapiens) | ||||||
| Activity: | Renin, with EC number 3.4.23.15 | ||||||
| Related: | 2G1N, 2G1R, 2G1O, 2G1Y, 2G20, 2G21, 2G22, 2G24, 2G26, 2G27
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring
Contents |
Overview
A systematic investigation of the S3 sub-pocket activity requirements was conducted. It was observed that linear and sterically small side chain substituents are preferred in the S3 sub-pocket for optimal renin inhibition. Polar groups in the S3-sub-pocket were not well tolerated and caused a reduction in renin inhibitory activity. Further, compounds with clog P's < or = 3 demonstrated a dramatic reduction in CYP3A4 inhibitory activity.
Disease
Known disease associated with this structure: Renal tubular dysgenesis OMIM:[179820], Hyperproreninemia OMIM:[179820]
About this Structure
2G1S is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Ketopiperazine-based renin inhibitors: optimization of the "C" ring., Holsworth DD, Cai C, Cheng XM, Cody WL, Downing DM, Erasga N, Lee C, Powell NA, Edmunds JJ, Stier M, Jalaie M, Zhang E, McConnell P, Ryan MJ, Bryant J, Li T, Kasani A, Hall E, Subedi R, Rahim M, Maiti S, Bioorg Med Chem Lett. 2006 May 1;16(9):2500-4. Epub 2006 Feb 15. PMID:16480874
Page seeded by OCA on Sat Apr 5 19:13:16 2008
